Vitas-M small molecule compound

ethyl 7-{[(3,5-dimethylpiperidin-1-yl)acetyl]amino}-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylate

Catalog ID
STK552365
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)CN1CC(C)CC(C1)C)cc1c(c2)OCO1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H27N3O5 MW 401.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5/c1-4-27-21(26)20-19(14-6-16-17(29-11-28-16)7-15(14)22-20)23-18(25)10-24-8-12(2)5-13(3)9-24/h6-7,12-13,22H,4-5,8-11H2,1-3H3,(H,23,25)
InChIKey
BYSNRMANZFVQJN-UHFFFAOYSA-N
Synonyms
799838-25-8
799838258
CCOC(=O)c1(nH)c2c(c1NC(=O)CN1CC(C)CC(C1)C)cc1c(c2)OCO1
CCOC(=O)C1=C(C2=CC3=C(C=C2N1)OCO3)NC(=O)CN4CC(CC(C4)C)C
ETHYL7((((3R5S)35DIMETHYLPIPERIDIN1YL)ACETYL)AMINO)5H(13)DIOXOLO(45F)INDOLE6CARBOXYLATE
ETHYL7((((3S5S)35DIMETHYLPIPERIDIN1YL)ACETYL)AMINO)5H(13)DIOXOLO(45F)INDOLE6CARBOXYLATE
ethyl7(((35dimethylpiperidin1yl)acetyl)amino)5H(13)dioxolo(45f)indole6carboxylate
ETHYL7((2(35DIMETHYLPIPERIDIN1YL)ACETYL)AMINO)5H(13)DIOXOLO(45F)INDOLE6CARBOXYLATE
ethyl7(2(35dimethylpiperidin1yl)acetamido)5H(13)dioxolo(45f)indole6carboxylate
InChI=1SC21H27N3O5c142721(26)2019(1461617(29112816)715(14)2220)2318(25)1024812(2)513(3)924h67121322H45811H213H3(H2325)
MFCD03685745
ZINC000002247299
ZINC000002247301

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.